SCHEMBL15216490

SCHEMBL15216490

CC(C)(C)/[N+]([O-])=C/c1ccc(C(F)(F)F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
CYP1A2 P05177 1/20 0.39
PTGS1 P23219 3/20 0.38
AHR P35869 1/20 0.38
NQO2 P16083 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
PTGS2 P35354 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7922827 1.00 FBP1 (0.49) FBP1NPC1RAB9ACYP1A2PTGS1
SCHEMBL7926738 0.80 ALDH1A1 (0.48) FBP1NPC1PTGS1TDP1PTGS2
SCHEMBL15216500 0.80 ALDH1A1 (0.48) FBP1NPC1PTGS1TDP1PTGS2
SCHEMBL15216486 0.79 FBP1 (0.54) FBP1TSHR
SCHEMBL15216491 0.78 FBP1 (0.44) FBP1NPC1RAB9APTGS1TDP1
SCHEMBL28552488 0.78 FBP1 (0.44) FBP1NPC1RAB9APTGS1TDP1
SCHEMBL7921065 0.77 ALDH1A1 (0.40) CYP1A2TDP1ALDH1A1TSHRHSD17B10
SCHEMBL4712004 0.76 TDP1 (0.43) FBP1TDP1ALDH1A1TSHRHSD17B10
SCHEMBL6935466 0.76 GAA (0.55) NPC1RAB9ACYP1A2TDP1ALDH1A1
SCHEMBL729012 0.76 TDP1 (0.40) TDP1ALDH1A1TSHRHSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130225694-A1 COMPOSITIONS AND METHODS OF INHIBITING RETINAL DEGENERATION OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 2013-08-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130225694-A1 COMPOSITIONS AND METHODS OF INHIBITING RETINAL DEGENERATION ALDH1A2, PDE6C, NQO1 FBP1 668/4885NPC1 731/4885RAB9A 2428/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.